N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide

C18H30N2O4 — CID 3680137

IUPACN-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCOCCCNC(=O)CCN(CC(C)C)C(=O)c1cc(C)oc1C
InChIInChI=1S/C18H30N2O4/c1-13(2)12-20(9-7-17(21)19-8-6-10-23-5)18(22)16-11-14(3)24-15(16)4/h11,13H,6-10,12H2,1-5H3,(H,19,21)
InChIKeyUBAMFONIPKSGPL-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.54
Rot. Bonds10

About N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide

N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (PubChem CID 3680137) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
PubChem CID3680137
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCOCCCNC(=O)CCN(CC(C)C)C(=O)c1cc(C)oc1C
InChIInChI=1S/C18H30N2O4/c1-13(2)12-20(9-7-17(21)19-8-6-10-23-5)18(22)16-11-14(3)24-15(16)4/h11,13H,6-10,12H2,1-5H3,(H,19,21)
InChIKeyUBAMFONIPKSGPL-UHFFFAOYSA-N
XLogP2.54
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The IUPAC name of N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (CID 3680137) is N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is COCCCNC(=O)CCN(CC(C)C)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The InChIKey is UBAMFONIPKSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-13(2)12-20(9-7-17(21)19-8-6-10-23-5)18(22)16-11-14(3)24-15(16)4/h11,13H,6-10,12H2,1-5H3,(H,19,21).
What are the key properties of N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropylamino)-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 3680137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).